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Xiangguo Li
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Performance and cost assessment of machine learning interatomic potentials
Y Zuo, C Chen, X Li, Z Deng, Y Chen, J Behler, G Csányi, AV Shapeev, ...
The Journal of Physical Chemistry A 124 (4), 731-745, 2020
5762020
A critical review of machine learning of energy materials
C Chen, Y Zuo, W Ye, X Li, Z Deng, SP Ong
Advanced Energy Materials 10 (8), 1903242, 2020
3972020
Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order
S Yin, Y Zuo, A Abu-Odeh, H Zheng, XG Li, J Ding, SP Ong, M Asta, ...
Nature communications 12 (1), 4873, 2021
1802021
Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy
XG Li, C Chen, H Zheng, Y Zuo, SP Ong
npj Computational Materials 6 (1), 70, 2020
1582020
Grain boundary properties of elemental metals
H Zheng, XG Li, R Tran, C Chen, M Horton, D Winston, KA Persson, ...
Acta Materialia 186, 40-49, 2020
1412020
Learning properties of ordered and disordered materials from multi-fidelity data
C Chen, Y Zuo, W Ye, X Li, SP Ong
Nature Computational Science 1 (1), 46-53, 2021
1262021
Anisotropic work function of elemental crystals
R Tran, XG Li, JH Montoya, D Winston, KA Persson, SP Ong
Surface Science 687, 48-55, 2019
1082019
Quantum-Accurate Spectral Neighbor Analysis Potential Models for Ni-Mo Binary Alloys and FCC Metals
XG Li, C Hu, C Chen, Z Deng, J Luo, SP Ong
Physical Review B 98, 094104, 2018
932018
An electrostatic spectral neighbor analysis potential for lithium nitride
Z Deng, C Chen, XG Li, SP Ong
npj Computational Materials 5 (1), 75, 2019
882019
Accelerating materials discovery with Bayesian optimization and graph deep learning
Y Zuo, M Qin, C Chen, W Ye, X Li, J Luo, SP Ong
Materials Today 51, 126-135, 2021
762021
Water Contributes to Higher Energy Density and Cycling Stability of Prussian Blue Analogue Cathodes for Aqueous Sodium-Ion Batteries
SPO Xingyu Guo, Zhenbin Wang, Zhi Deng, Xiangguo Li, Bo Wang, Xi Chen
Chemistry of Materials, 2019
702019
Bridging the gap between simulated and experimental ionic conductivities in lithium superionic conductors
J Qi, S Banerjee, Y Zuo, C Chen, Z Zhu, MLH Chandrappa, X Li, SP Ong
Materials Today Physics 21, 100463, 2021
582021
Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12
PL Haodong Liu, Zhuoying Zhu, Jason Huang, Xin He, Yan Chen, Rui Zhang ...
ACS Materials Letters 1, 96-102, 2019
512019
Generalized stacking fault energies and Peierls stresses in refractory body-centered cubic metals from machine learning-based interatomic potentials
X Wang, S Xu, WR Jian, XG Li, Y Su, IJ Beyerlein
Computational Materials Science 192, 110364, 2021
392021
Two-dimensional lateral GaN/SiC heterostructures: First-principles studies of electronic and magnetic properties
GX Chen, XG Li, YP Wang, JN Fry, HP Cheng
Physical review B 95 (4), 045302, 2017
352017
Molecular analogue of the perovskite repeating unit and evidence for direct MnIII-CeIV-MnIII exchange coupling pathway
AE Thuijs, XG Li, YP Wang, KA Abboud, XG Zhang, HP Cheng, ...
Nature communications 8 (1), 500, 2017
332017
First-principles studies of electric field effects on the electronic structure of trilayer graphene
YP Wang, XG Li, JN Fry, HP Cheng
Physical Review B 94 (16), 165428, 2016
312016
Rational synthesis and electrochemical performance of LiVOPO 4 polymorphs
MFV Hidalgo, YC Lin, A Grenier, D Xiao, J Rana, R Tran, H Xin, M Zuba, ...
Journal of materials chemistry A 7 (14), 8423-8432, 2019
252019
Single-molecule magnet on graphene
XG Li, JN Fry, HP Cheng
Physical Review B 90 (12), 125447, 2014
202014
A review on plasmonic nanostructures for efficiency enhancement of organic solar cells
S Liu, Y Sun, L Chen, Q Zhang, X Li, J Shuai
Materials Today Physics 24, 100680, 2022
182022
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Articles 1–20